SCHEMBL720340

SCHEMBL720340

NC(C(=O)OC1CCCCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.49
LMNA P02545 4/20 0.49
THRB P10828 3/20 0.49
BLM P54132 3/20 0.49
PMP22 Q01453 3/20 0.49
CYP1A2 P05177 3/20 0.49
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
CYP2C9 P11712 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MTOR P42345 1/20 0.49
CYP19A1 P11511 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.48
FABP7 O15540 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL720341 1.00 CYP2D6 (0.49) CYP2D6LMNATHRBBLMPMP22
SCHEMBL720740 1.00 CYP2D6 (0.49) CYP2D6LMNATHRBBLMPMP22
Cyclopentane SCHEMBL4965591 1.00 CYP2D6 (0.49) CYP2D6LMNATHRBBLMPMP22
SCHEMBL1491629 0.98 CYP2D6 (0.50) CYP2D6LMNATHRBBLMPMP22
SCHEMBL8199654 0.98 CYP2D6 (0.50) CYP2D6LMNATHRBBLMPMP22
SCHEMBL1491633 0.98 CYP2D6 (0.50) CYP2D6LMNATHRBBLMPMP22
SCHEMBL13086831 0.84 CYP19A1 (0.46) CYP2D6LMNATHRBBLMPMP22
SCHEMBL13086832 0.84 CYP19A1 (0.46) CYP2D6LMNATHRBBLMPMP22
SCHEMBL19105458 0.83 CYP2D6 (0.51) CYP2D6LMNATHRBBLMPMP22
SCHEMBL2541670 0.82 CYP2D6 (0.47) CYP2D6LMNATHRBBLMPMP22

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 US disclosed
EP-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 WO disclosed
US-6964957-B2 Fused pyrazole compounds, pharmaceutical compositions, and methods for modulating or inhibiting ERAB or HADH2 activity AGOURON PHARMACEUTICALS, INC. (US) 2005-11-15 US disclosed
EP-1311511-A1 PYRAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR MODULATING OR INHIBITING ERAB OR HADH2 ACTIVITY Agouron Pharmaceuticals, Inc. (US) 2003-05-21 EP disclosed
US-20020132319-A1 Peptide mutant of human ERAB or HADH2, its X-ray crystal structure, and materials and method for identification of inhibitors thereof ABREO MELWYN A (US) 2002-09-19 US disclosed
EP-1223176-A2 Peptide mutant of human ERAB/HADH2, its X-ray crystal structure, and materials and method for identification of inhibitors thereof Agouron Pharmaceuticals, Inc. (US) 2002-07-17 EP disclosed
US-20020065292-A1 For use in therapy of neurodegenerative diseases and certain cancers AGOURON PHARMACEUTICALS, INC. 2002-05-30 US disclosed
WO-2002016365-A1 PYRAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR MODULATING OR INHIBITING ERAB OR HADH2 ACTIVITY AGOURON PHARMACEUTICALS, INC. (US) 2002-02-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020132319-A1 Peptide mutant of human ERAB or HADH2, its X-ray crystal structure, and materials and method for identification of inhibitors thereof ERAP1, ERAP2, ERAL1 CYP2D6 4305/4885LMNA 3488/4885THRB 1007/4885
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP CYP2D6 2785/4885LMNA 2094/4885THRB 3793/4885
US-20020065292-A1 For use in therapy of neurodegenerative diseases and certain cancers ERAL1, PSEN2, ERAP2 CYP2D6 3032/4885LMNA 3205/4885THRB 1653/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.